General Information of the Compound
| Compound ID |
CP0481988
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| Compound Name |
2-(4-hydroxyphenyl)-3-[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]-1-benzothiophen-6-ol
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| Structure |
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| Formula |
C23H16N4O3S
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| Molecular Weight |
428.473
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| Canonical SMILES |
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\c2nnn[nH]2)cc1
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| InChI |
InChI=1S/C23H16N4O3S/c28-16-6-4-15(5-7-16)23-22(19-11-8-17(29)13-20(19)31-23)30-18-9-1-14(2-10-18)3-12-21-24-26-27-25-21/h1-13,28-29H,(H,24,25,26,27)/b12-3+
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| InChIKey |
LEPZHKJQIHSQNL-KGVSQERTSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound